3-(2,2-dimethyloxan-4-yl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(2,2-dimethyloxan-4-yl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(2,2-dimethyloxan-4-yl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 2752-0159 |
| Compound Name: | 3-(2,2-dimethyloxan-4-yl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 450.64 |
| Molecular Formula: | C27 H34 N2 O2 S |
| Smiles: | CC1(C)CC(CCO1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8072 |
| logD: | 5.8072 |
| logSw: | -5.3414 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.241 |
| InChI Key: | GVFGGIHFTWXLNC-FQEVSTJZSA-N |